Can anyone please tell me the way how to measure the electrochemcal activity of a material using first principle method ?

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Cornel Radu

Are you sure you want to measure? ....or to calculate? You may start from here:

Article First principles electrochemistry: Electrons and protons rea...

Alexander J. Babchin

By intensity of reaction outflow.

Arslan Ullah

Respected sir @Artur Braun , I want to add some more, actually these are modelling techniques and it depends upon our expertise how much and how accurate we can model our system, and yes there are techniques we can measure the activity of a reaction e.g. https://aip.scitation.org/doi/abs/10.1063/1.4907897?journalCode=jcp

I was focused towards DSSC counter electrode to check its activity.

best Regards